1-(6-butoxy-7-methyl-3-oxidanidyl-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-yl)ethanone

Systemtic Name: 1-(6-butoxy-7-methyl-3-oxidanidyl-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-yl)ethanone Openeye Name: 1-(6-butoxy-7-methyl-3-oxido-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-yl)ethanone CAS Name: 1-(6-butoxy-7-methyl-3-oxido-8-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-iumyl)ethanone IUPAC Name: 1-(6-butoxy-7-methyl-3-oxidopyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-yl)ethanone Traditional Name: 1-(6-butoxy-7-methyl-3-oxido-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-yl)ethanone Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCON1C(=C(C2=C1C=CC3=[N+](ON=C32)[O-])C(=O)C)C

Isomeric SMILES

CCCCON1C(=C(C2=C1C=CC3=[N+](ON=C32)[O-])C(=O)C)C

InChI

InChI=1S/C15H17N3O4/c1-4-5-8-21-17-9(2)13(10(3)19)14-11(17)6-7-12-15(14)16-22-18(12)20/h6-7H,4-5,8H2,1-3H3